REMARK  Name = BDB057602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.525  -1.097  -0.708  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.906  -1.129  -0.719  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -2.214  -2.158  -1.663  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.534  -2.728  -2.037  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -1.113  -2.658  -2.243  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1       -0.108  -2.002  -1.636  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        0.854  -2.210  -1.873  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.751  -0.285   0.120  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1       -4.000  -0.032  -0.414  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.146  -0.318  -1.371  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -2.317   0.182   1.169  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -5.059   0.690   0.173  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.049   1.167   1.485  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.148   1.867   1.993  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.267   2.093   1.196  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.291   1.617  -0.111  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.193   0.917  -0.619  0.00  0.00    +0.023 A 
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.361  -0.373   0.012  0.00  0.00    -0.221 N 
ATOM     19  H   LIG    1       -0.020   0.217   0.762  0.00  0.00    +0.176 HD
BRANCH  18  21
ATOM     20  C   LIG    1        2.414   0.203   0.680  0.00  0.00    +0.138 C 
ATOM     21  N   LIG    1        1.704  -0.522  -0.128  0.00  0.00    -0.189 NA
BRANCH  20  25
ATOM     22  C   LIG    1        6.690   0.134   0.682  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        5.986   0.954   1.569  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.589   0.976   1.567  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.890   0.168   0.669  0.00  0.00    -0.005 A 
ATOM     26  C   LIG    1        4.585  -0.655  -0.221  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        5.984  -0.672  -0.213  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        8.816  -0.606  -0.084  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        8.051   0.212   0.793  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 6